Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -2.319596313589527e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 25] | -2.306769742316821e+01 | -2.306769742316820e+01 | 1.150000000000000e-12 | -1.065814103640150e-14 | PASS |
| Energy [step 50] | -2.306775467908157e+01 | -2.306775467908149e+01 | 2.310000000000000e-13 | -7.815970093361102e-14 | PASS |
| Energy [step 75] | -2.306781599435075e+01 | -2.306781599435064e+01 | 2.310000000000000e-13 | -1.030286966852145e-13 | PASS |
| Energy [step 100] | -2.306787047825555e+01 | -2.306787047825554e+01 | 2.310000000000000e-13 | -1.421085471520200e-14 | PASS |
| Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lx [step 25] | 4.379017615444832e-02 | 4.379017615445038e-02 | 3.610000000000000e-15 | -2.060851489460447e-15 | PASS |
| Lx [step 50] | 7.224678178818111e-03 | 7.224678178819371e-03 | 6.700000000000000e-15 | -1.259409243559162e-15 | PASS |
| Lx [step 75] | -1.948226432550108e-02 | -1.948226432550091e-02 | 5.550000000000000e-15 | -1.734723475976807e-16 | PASS |
| Lx [step 100] | -3.047277365035435e-02 | -3.047277365035511e-02 | 7.000000000000000e+00 | 7.632783294297951e-16 | PASS |
| Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
| Ly [step 25] | -7.184675044896763e-02 | -7.184675044896897e-02 | 3.880000000000000e-15 | 1.346145417358002e-15 | PASS |
| Ly [step 50] | -7.123184761547469e-03 | -7.123184761548256e-03 | 6.950000000000000e-15 | 7.875644580934704e-16 | PASS |
| Ly [step 75] | -4.172386570338724e-02 | -4.172386570339066e-02 | 4.960000000000000e-15 | 3.420874694626264e-15 | PASS |
| Ly [step 100] | -5.777037007127005e-02 | -5.777037007126750e-02 | 4.070000000000000e-15 | -2.546574062733953e-15 | PASS |
| Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lz [step 25] | -9.755996688405842e-02 | -9.755996688405971e-02 | 6.400000000000000e-15 | 1.290634266126744e-15 | PASS |
| Lz [step 50] | 7.711998558583344e-03 | 7.711998558587046e-03 | 4.580000000000000e-15 | -3.701899897734506e-15 | PASS |
| Lz [step 75] | 7.208133272378071e-02 | 7.208133272378753e-02 | 5.780000000000000e-15 | -6.813993813636898e-15 | FAIL |
| Lz [step 100] | 5.119788868443128e-02 | 5.119788868443480e-02 | 5.660000000000000e-15 | -3.524958103184872e-15 | PASS |
| Q(-2)[step 1] | -4.545137226010320e+00 | -4.545137226010302e+00 | 4.550000000000000e-14 | -1.865174681370263e-14 | PASS |
| Q(-2)[step 25] | -4.611689082743386e+00 | -4.611689082743363e+00 | 4.610000000000000e-14 | -2.220446049250313e-14 | PASS |
| Q(-2)[step 50] | -4.687399395140347e+00 | -4.687399395140323e+00 | 4.690000000000000e-14 | -2.398081733190338e-14 | PASS |
| Q(-2)[step 75] | -4.392452874733473e+00 | -4.392452874733464e+00 | 4.390000000000000e-14 | -8.881784197001252e-15 | PASS |
| Q(-2)[step 100] | -4.181650789981208e+00 | -4.181650789981192e+00 | 4.180000000000000e-14 | -1.598721155460225e-14 | PASS |
| Q(-1)[step 1] | 4.178376526406836e+00 | 4.178376526406848e+00 | 4.180000000000000e-14 | -1.243449787580175e-14 | PASS |
| Q(-1)[step 25] | 4.182321921047405e+00 | 4.182321921047410e+00 | 4.180000000000000e-14 | -4.440892098500626e-15 | PASS |
| Q(-1)[step 50] | 4.130858295004431e+00 | 4.130858295004428e+00 | 4.130000000000000e-14 | 3.552713678800501e-15 | PASS |
| Q(-1)[step 75] | 4.065033999154409e+00 | 4.065033999154396e+00 | 4.070000000000000e-14 | 1.243449787580175e-14 | PASS |
| Q(-1)[step 100] | 4.091905436315862e+00 | 4.091905436315860e+00 | 4.090000000000000e-14 | 1.776356839400250e-15 | PASS |
| Q( 0)[step 1] | -7.137538508704735e+00 | -7.137538508704713e+00 | 7.140000000000000e-14 | -2.220446049250313e-14 | PASS |
| Q( 0)[step 25] | -7.469859499746006e+00 | -7.469859499745980e+00 | 3.730000000000000e-13 | -2.575717417130363e-14 | PASS |
| Q( 0)[step 50] | -7.808672080156433e+00 | -7.808672080156406e+00 | 7.810000000000000e-14 | -2.753353101070388e-14 | PASS |
| Q( 0)[step 75] | -7.739383133589484e+00 | -7.739383133589480e+00 | 3.870000000000000e-13 | -3.552713678800501e-15 | PASS |
| Q( 0)[step 100] | -7.647990218749479e+00 | -7.647990218749506e+00 | 7.650000000000000e-14 | 2.664535259100376e-14 | PASS |
| Q( 1)[step 1] | -4.826117423972637e+00 | -4.826117423972624e+00 | 4.830000000000000e-14 | -1.243449787580175e-14 | PASS |
| Q( 1)[step 25] | -4.732913099704438e+00 | -4.732913099704414e+00 | 4.730000000000000e-14 | -2.486899575160351e-14 | PASS |
| Q( 1)[step 50] | -4.489483009608315e+00 | -4.489483009608300e+00 | 4.490000000000000e-14 | -1.509903313490213e-14 | PASS |
| Q( 1)[step 75] | -4.327506323667969e+00 | -4.327506323667949e+00 | 4.330000000000000e-14 | -1.953992523340276e-14 | PASS |
| Q( 1)[step 100] | -4.287562363821926e+00 | -4.287562363821902e+00 | 4.290000000000000e-14 | -2.398081733190338e-14 | PASS |
| Q( 2)[step 1] | 1.189093313557995e+01 | 1.189093313558002e+01 | 1.190000000000000e-13 | -6.750155989720952e-14 | PASS |
| Q( 2)[step 25] | 1.233960558678196e+01 | 1.233960558678198e+01 | 1.230000000000000e-13 | -1.776356839400250e-14 | PASS |
| Q( 2)[step 50] | 1.278020775793098e+01 | 1.278020775793098e+01 | 1.280000000000000e-13 | -5.329070518200751e-15 | PASS |
| Q( 2)[step 75] | 1.272940168424052e+01 | 1.272940168424052e+01 | 1.270000000000000e-13 | 0.000000000000000e+00 | PASS |
| Q( 2)[step 100] | 1.255123999562222e+01 | 1.255123999562224e+01 | 1.260000000000000e-13 | -2.131628207280301e-14 | PASS |